3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide

C12H23N3O — CID 122080350

IUPAC3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCN2)C1
InChIInChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)12(16)15-8-11-5-2-6-14-11/h9-11,14H,1-8,13H2,(H,15,16)
InChIKeySELZZUBWBXYPNU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.37
Rot. Bonds3

About 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 122080350) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID122080350
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCN2)C1
InChIInChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)12(16)15-8-11-5-2-6-14-11/h9-11,14H,1-8,13H2,(H,15,16)
InChIKeySELZZUBWBXYPNU-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81478379
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 80584681
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
1-(pyrrolidine-1-carbonyl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide
CID 119512673
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 106291669
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide (CID 122080350) is 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCCN2)C1.
What is the InChIKey of 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is SELZZUBWBXYPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-10-4-1-3-9(7-10)12(16)15-8-11-5-2-6-14-11/h9-11,14H,1-8,13H2,(H,15,16).
What are the key properties of 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 122080350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).